2-phenoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-phenoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-phenoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-phenoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-phenoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-phenoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S/c24-20(15-27-17-7-3-1-4-8-17)22-16-10-12-18(13-11-16)28(25,26)23-19-9-5-2-6-14-21-19/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,21,23)(H,22,24)/p+1